2-methyl-8-nitro-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-methyl-8-nitro-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 2-methyl-8-nitro-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 2-methyl-8-nitro-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-methyl-8-nitro-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 2-methyl-8-nitro-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C11H7N3O3S MolecularWeight: 261.25658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C11H7N3O3S/c1-5-12-9-7-4-6(14(16)17)2-3-8(7)18-10(9)11(15)13-5/h2-4H,1H3,(H,12,13,15)